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Abstract Coordination complexes of general formulatrans‐[MX2(R2ECH2CH2ER2)2] (MII=Ti, V, Cr, Mn; E=N or P; R=alkyl or aryl) are a cornerstone of coordination and organometallic chemistry. We investigate the electronic properties of two such complexes,trans‐[VCl2(tmeda)2] andtrans‐[VCl2(dmpe)2], which thus representtrans‐[MX2(R2ECH2CH2ER2)2] where M=V, X=Cl, R=Me and E=N (tmeda) and P (dmpe). These VIIcomplexes haveS=3/2 ground states, as expected for octahedral d3. Their tetragonal distortion leads to zero‐field splitting (zfs) that is modest in magnitude (D≈0.3 cm−1) relative to analogousS=1 TiIIand CrIIcomplexes. This parameter was determined from conventional EPR spectroscopy, but more effectively from high‐frequency and ‐field EPR (HFEPR) that determined the sign ofDas negative for the diamine complex, but positive for the diphosphine, which information had not been known for anytrans‐[VX2(R2ECH2CH2ER2)2] systems. The ligand‐field parameters oftrans‐[VCl2(tmeda)2] andtrans‐[VCl2(dmpe)2] are obtained using both classical theory andab initioquantum chemical theory. The results shed light not only on the electronic structure of VIIin this environment, but also on differences between N and P donor ligands, a key comparison in coordination chemistry.
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Strain-induced topological phase transition in ferromagnetic Janus monolayer MnSbBiS 2 Te 2
Strain-induced topological phase transition in the ferromagnetic Janus monolayer MnSbBiS2Te2is displayed.
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- Award ID(s):
- 2044842
- PAR ID:
- 10522263
- Publisher / Repository:
- Royal Society of Chemistry
- Date Published:
- Journal Name:
- Physical Chemistry Chemical Physics
- Volume:
- 26
- Issue:
- 13
- ISSN:
- 1463-9076
- Page Range / eLocation ID:
- 10111 to 10119
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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- Free Publicly Accessible Full Text
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Accepted Manuscript1.0
- Journal Article:
- https://doi.org/10.1039/D3CP05578G
